SCHEMBL462853

SCHEMBL462853

O=C(c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nc12)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.62
NTRK1 P04629 19/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL462577 0.89 NTRK1 (0.65) JAK2NTRK1
SCHEMBL462198 0.89 NTRK1 (0.65) JAK2NTRK1
SCHEMBL462409 0.89 NTRK1 (0.68) JAK2NTRK1
SCHEMBL460917 0.88 NTRK1 (0.63) JAK2NTRK1
SCHEMBL462289 0.88 NTRK1 (0.62) JAK2NTRK1
SCHEMBL461871 0.87 NTRK1 (0.73) JAK2NTRK1
SCHEMBL469809 0.83 NTRK1 (0.65) JAK2NTRK1
SCHEMBL461034 0.82 NTRK1 (0.62) JAK2NTRK1
SCHEMBL461967 0.82 NTRK1 (0.67) JAK2NTRK1
SCHEMBL461311 0.82 NTRK1 (0.67) JAK2NTRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO claimed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed
WO-2012034095-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 WO disclosed